SCHEMBL6043552

SCHEMBL6043552

COCCCCOc1cc(C(N)=O)ccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMPD1 P17405 5/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRSS1 P07477 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4A P27815 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6043918 0.90 MAPT (0.51) SMPD1KDM4EMAPTALDH1A1HPGD
SCHEMBL6043995 0.89 TSHR (0.47) MAPT
SCHEMBL6043409 0.87 MAPK1 (0.48) MAPK1SMPD1PRSS1PDE4APDE4B
SCHEMBL22160224 0.87 ALDH1A1 (0.51) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL6042780 0.86 SMPD1 (0.46) SMPD1KDM4EMAPTALDH1A1HPGD
SCHEMBL15417883 0.84 TDP1 (0.50) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL6043581 0.83 ALDH1A1 (0.43) SMPD1KDM4EMAPTALDH1A1HPGD
SCHEMBL20982560 0.82 MAPT (0.56) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL6042928 0.81 CA12 (0.54) MAPK1KDM4EMAPTALDH1A1HPGD
SCHEMBL6043225 0.81 HTT (0.61) KDM4EMAPTALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 MAPK1 3638/4885SMPD1 83/4885KDM4E 1951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.